⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27563189 | 0.86 | — | — | |
| SCHEMBL27507630 | 0.84 | — | — | |
| SCHEMBL27505620 | 0.77 | — | — | |
| SCHEMBL27506810 | 0.72 | — | — | |
| SCHEMBL8473663 | 0.60 | — | — | |
| SCHEMBL27491074 | 0.60 | GRIA1 (0.32) | — | |
| SCHEMBL27507636 | 0.59 | — | — | |
| SCHEMBL8478464 | 0.59 | — | — | |
| SCHEMBL27505242 | 0.56 | — | — | |
| SCHEMBL8475719 | 0.56 | HCAR3 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1208417-A | Fused 1,2,4-thiadiazine and fused 1,4-thiazine derivatives, their preparation and use | NOVO NORDISK AS (DK) | 1999-02-17 | — | — | CN | disclosed |